SCHEMBL16941963

SCHEMBL16941963

O=C(Cl)[C@@H]1CCC[C@H](C(=O)Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CHRNB2 P17787 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOS2 P35228 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.34
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 4/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL890370 1.00 CES2 (0.43) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL21391822 0.90 CES2 (0.45) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL126540 0.90
SCHEMBL21391916 0.88 CES2 (0.50) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL21391917 0.88 CES2 (0.43) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL14273180 0.88 CES2 (0.50) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL2154406 0.87 ACE (0.36) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL21391824 0.85 CES2 (0.55) CES2CES1CHRNB2CHRNA3CHRNA4
SCHEMBL101983 0.84
SCHEMBL13397790 0.84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165823-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DICARBOXYLIC ACIDS AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC 2023-06-01 US disclosed
US-20210052529-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DICARBOXYLIC ACIDS AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC 2021-02-25 US disclosed
EP-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 EP disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 US disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-3099692-B1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-03-13 EP disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
WO-2015110935-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2015-07-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 CES2 921/4885CES1 1033/4885CHRNB2 3585/4885
US-20230165823-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DICARBOXYLIC ACIDS AND THEIR THERAPEUTIC APPLICATIONS SLC16A1, SLC10A1, SLC16A7 CES2 1837/4885CES1 479/4885CHRNB2 2551/4885
US-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 CES2 921/4885CES1 1033/4885CHRNB2 3585/4885
US-20210052529-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DICARBOXYLIC ACIDS AND THEIR THERAPEUTIC APPLICATIONS SLC16A1, SLC10A1, SLC16A7 CES2 1837/4885CES1 705/4885CHRNB2 2478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.